Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 83] |
-1.351221987619890e+01 |
-1.351221987619888e+01 |
3.010000000000000e-13 |
-1.953992523340276e-14 |
PASS |
| Energy [step 103] |
-1.351222686779613e+01 |
-1.351222686779602e+01 |
3.420000000000000e-13 |
-1.065814103640150e-13 |
PASS |
| Multipoles [step 83] |
5.517961617531895e-04 |
5.517961618581718e-04 |
1.400000000000000e-13 |
-1.049823205798162e-13 |
PASS |
| Multipoles [step 103] |
3.943654428716353e-03 |
3.943654428896824e-03 |
1.990000000000000e-13 |
-1.804710894615091e-13 |
PASS |